N-(4-butylphenyl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide

Systemtic Name: N-(4-butylphenyl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide Openeye Name: N-(4-butylphenyl)-2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetamide CAS Name: N-(4-butylphenyl)-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]acetamide IUPAC Name: N-(4-butylphenyl)-2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetamide Traditional Name: N-(4-butylphenyl)-2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]acetamide Formula: C30H31N3O2S MolecularWeight: 497.65104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H31N3O2S/c1-2-3-10-24-15-17-26(18-16-24)31-28(34)22-33-29(35)21-27(25-13-8-5-9-14-25)32-30(33)36-20-19-23-11-6-4-7-12-23/h4-9,11-18,21H,2-3,10,19-20,22H2,1H3,(H,31,34)